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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nicotinamide N-methyltransferase (NNMT)' and Ligand = 'BDBM197173'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM197173
PNG
(Sinefungin)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C[C@@H]([NH3+])CC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/p+1/t6-,7-,8+,10+,11+,14+/s2
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/a8.637



Utrecht University



Assay Description
Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...


Biochemistry 55: 5307-15 (2016)


Article DOI: 10.1021/acs.biochem.6b00733
BindingDB Entry DOI: 10.7270/Q2H130TH
More data for this
Ligand-Target Pair